CID 2398095

3-{[2-(morpholin-4-yl)ethyl]amino}propanenitrile

Structural Information

Molecular Formula

C₉H₁₇N₃O

SMILES

C1COCCN1CCNCCC#N

InChI

InChI=1S/C9H17N3O/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h11H,1,3-9H2

InChIKey

ZNDCJNWMQMVSQG-UHFFFAOYSA-N

Compound name

3-(2-morpholin-4-ylethylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 60
Patents: 183.13716 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.14444	136.2
[M+Na]+	206.12638	141.9
[M-H]-	182.12988	137.2
[M+NH4]+	201.17098	151.0
[M+K]+	222.10032	141.1
[M+H-H2O]+	166.13442	122.2
[M+HCOO]-	228.13536	152.3
[M+CH3COO]-	242.15101	195.2
[M+Na-2H]-	204.11183	142.7
[M]+	183.13661	128.9
[M]-	183.13771	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe